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ChemicalBook--->CAS DataBase List--->140-26-1

140-26-1

140-26-1 Structure

140-26-1 Structure
IdentificationMore
[Name]

FEMA 2871
[CAS]

140-26-1
[Synonyms]

2-PHENYLETHYL ISOVALERATE
BETA-PHENYLETHYL ISOVALERATE
B-PHENYLETHYL ISOVALERATE
FEMA 2871
PHENETHYL ISOVALERATE
PHENYLETHYL ISOPENTANOATE
PHENYLETHYL ISOVALERATE
2-Phenylethyl 3-methylbutirate
2-Phenylethyl3-methylbutanoate
2-phenylethyl3-methylbutirate
3-methyl-butanoicaci2-phenylethylester
3-methylbutanoicacidphenylethylester
Benzylcarbinyl3-methylbutanoate
Butanoic acid, 3-methyl-, 2-phenylethyl ester
Butanoicacid,3-methyl-,2-phenylethylester
Isovaleric acid, phenethyl ester
isovalericacid,phenethylester
Phenethyl3-methylbutyrate
Phenyl ethyl 3-methyl-butanoate
PHENYLETHYL ISO VALERATE FCC
[EINECS(EC#)]

205-406-3
[Molecular Formula]

C13H18O2
[MDL Number]

MFCD00044322
[Molecular Weight]

206.28
[MOL File]

140-26-1.mol
Chemical PropertiesBack Directory
[Appearance]

CLEAR COLOURLESS LIQUID
[Boiling point ]

268 °C(lit.)
[density ]

0.974 g/mL at 25 °C(lit.)
[vapor pressure ]

0.943Pa at 25℃
[FEMA ]

2871
[refractive index ]

n20/D 1.485(lit.)
[Fp ]

>230 °F
[storage temp. ]

Sealed in dry,Room Temperature
[Water Solubility ]

Insoluble in water
[form ]

clear liquid
[color ]

Colorless to sltly yellow liquid
[Odor]

fruity, rosy odor
[Odor Type]

floral
[JECFA Number]

994
[LogP]

3.972
[CAS DataBase Reference]

140-26-1(CAS DataBase Reference)
[EPA Substance Registry System]

Butanoic acid, 3-methyl-, 2-phenylethyl ester (140-26-1)
Safety DataBack Directory
[Safety Statements ]

S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

1
[RTECS ]

NY1511500
[HS Code ]

29156000
[Safety Profile]

Mddly toxic by ingestion. Combustible liquid. When heated to decomposition it emits acrid smoke and irritating fumes. See also ESTERS
[Toxicity]

LD50 orl-rat: 6220 mg/kg VPITAR 33(5),48,74
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Phenethyl alcohol
Hazard InformationBack Directory
[Chemical Properties]

CLEAR COLOURLESS LIQUID
[Chemical Properties]

FEMA 2871 has been identified as a volatile aroma component of peppermint oils. The fruitiness of its odor is even more pronounced than that of the isobutyrate. It is used in small quantities for the same purposes as phenylethyl isobutyrate.
[Chemical Properties]

Phenethyl isovalerate has a fruity (rose-like) odor and a bittersweet flavor, reminiscent of peach. It is not very stable.
[Occurrence]

Reported found in peppermint oil, spearmint oil, Scotch spearmint oil, beer, grape brandy, cognac, cider and lamb’s lettuce.
[Preparation]

By esterification of phenethyl alcohol with isovaleric acid.
[Taste threshold values]

Taste characteristics at 2 to 10 ppm: sweet, fruity, ripe pineapple with honey, berry and peachy nuances.
[Flammability and Explosibility]

Nonflammable
[Synthesis]

FEMA 2871 is prepared by azeotropic esteritication of Phenylethylalcohol with iso-Valerie acid.
Spectrum DetailBack Directory
[Spectrum Detail]

FEMA 2871(140-26-1)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Phenylethyl isovalerate, 99%(140-26-1)
[Sigma Aldrich]

140-26-1(sigmaaldrich)
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